4,6,7-trifluoro-2-propan-2-yl-1H-indole

C11H10F3N — CID 163372867

IUPAC4,6,7-trifluoro-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2c(F)cc(F)c(F)c2[nH]1
InChIInChI=1S/C11H10F3N/c1-5(2)9-3-6-7(12)4-8(13)10(14)11(6)15-9/h3-5,15H,1-2H3
InChIKeyWXPFMUGYEUBPBM-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.71
Rot. Bonds1

About 4,6,7-trifluoro-2-propan-2-yl-1H-indole

4,6,7-trifluoro-2-propan-2-yl-1H-indole (PubChem CID 163372867) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 4,6,7-trifluoro-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name4,6,7-trifluoro-2-propan-2-yl-1H-indole
PubChem CID163372867
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name4,6,7-trifluoro-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2c(F)cc(F)c(F)c2[nH]1
InChIInChI=1S/C11H10F3N/c1-5(2)9-3-6-7(12)4-8(13)10(14)11(6)15-9/h3-5,15H,1-2H3
InChIKeyWXPFMUGYEUBPBM-UHFFFAOYSA-N
XLogP3.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole
CID 126732660
5,7-dichloro-2-propan-2-yl-1H-indole
CID 164776982
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one
CID 107593527
7-chloro-4-methoxy-2-propan-2-yl-1H-indole
CID 83642855
7-bromo-4-methoxy-2-propan-2-yl-1H-indole
CID 174995536
6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one
CID 107628024
6,7-difluoro-4-methyl-1H-indole-2-carbonitrile
CID 135333311
1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol
CID 65332721
(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine
CID 55276789
methyl 2-(7,8-difluoro-2-oxo-1H-quinolin-4-yl)propanoate
CID 165461425
5-propan-2-yl-1H-pyrrole-2,3-dicarbaldehyde
CID 89193680

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trifluoro-2-propan-2-yl-1H-indole?
The IUPAC name of 4,6,7-trifluoro-2-propan-2-yl-1H-indole (CID 163372867) is 4,6,7-trifluoro-2-propan-2-yl-1H-indole.
What is the SMILES notation for 4,6,7-trifluoro-2-propan-2-yl-1H-indole?
The canonical SMILES for 4,6,7-trifluoro-2-propan-2-yl-1H-indole is CC(C)c1cc2c(F)cc(F)c(F)c2[nH]1.
What is the InChIKey of 4,6,7-trifluoro-2-propan-2-yl-1H-indole?
The InChIKey is WXPFMUGYEUBPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c1-5(2)9-3-6-7(12)4-8(13)10(14)11(6)15-9/h3-5,15H,1-2H3.
What are the key properties of 4,6,7-trifluoro-2-propan-2-yl-1H-indole?
4,6,7-trifluoro-2-propan-2-yl-1H-indole has a molecular weight of 213.20 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trifluoro-2-propan-2-yl-1H-indole is sourced from PubChem (CID 163372867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).